Y042-7449 Screening compound: N-(4-methoxybenzyl)-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]acetamide

Y042-7449 Screening compound: N-(4-methoxybenzyl)-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]acetamide
Y042-7449 Screening compound: N-(4-methoxybenzyl)-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7449
N-(4-methoxybenzyl)-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y042-7449

Molecular Formula

C19H24N2O3 (C19 H24 N2 O3)

Compound Name

N-(4-methoxybenzyl)-2-[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]acetamide

IUPAC name

N-[(4-methoxyphenyl)methyl]-2-[4-(1H-pyrrol-1-yl)oxan-4-yl]acetamide

SMILES

COc1ccc(CNC(CC2(CCOCC2)n2cccc2)=O)cc1

InChI

InChI=1S/C19H24N2O3/c1-23-17-6-4-16(5-7-17)15-20-18(22)14-19(8-12-24-13-9-19)21-10-2-3-11-21/h2-7,10-11H,8-9,12-15H2,1H3,(H,20,22)

InChI Key

JOOUDUPOCFYTOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28366608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.441

Distribution Coefficient, logD

2.441

Water Solubility, LogSw

-2.59

Polar Surface Area

43.657

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

Y042-7449 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-7449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7449?
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What is the minimum amount of Y042-7449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7449
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y042-7449 available by request